K906-3581 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

K906-3581 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
K906-3581 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3581
3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K906-3581

Molecular Formula

C18H23BrN4O5S (C18 H23 BrN4 O5 S)

Compound Name

3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-(2-amino-5-bromopyridine-3-sulfonamido)-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(ccc(CCNC(CCNS(c1cc(Br)cnc1N)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C18H23BrN4O5S/c1-27-14-4-3-12(9-15(14)28-2)5-7-21-17(24)6-8-23-29(25,26)16-10-13(19)11-22-18(16)20/h3-4,9-11,23H,5-8H2,1-2H3,(H2,20,22)(H,21,24)

InChI Key

BKOQMXQCTMMWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.767

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-2.41

Polar Surface Area

111.246

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K906-3581 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with K906-3581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3581?
Check Price and Availability of K906-3581, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-3581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3581
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K906-3581 available by request